3-[(1-ethylcyclobutyl)carbamoyl]-1,2-oxazole-5-carboxylic acid

C11H14N2O4 — CID 107369989

IUPAC3-[(1-ethylcyclobutyl)carbamoyl]-1,2-oxazole-5-carboxylic acid
SMILESCCC1(NC(=O)c2cc(C(=O)O)on2)CCC1
InChIInChI=1S/C11H14N2O4/c1-2-11(4-3-5-11)12-9(14)7-6-8(10(15)16)17-13-7/h6H,2-5H2,1H3,(H,12,14)(H,15,16)
InChIKeyHXGOWMBEWMPXHX-UHFFFAOYSA-N
MW238.24 g/mol
LogP1.44
Rot. Bonds4

About 3-[(1-ethylcyclobutyl)carbamoyl]-1,2-oxazole-5-carboxylic acid

3-[(1-ethylcyclobutyl)carbamoyl]-1,2-oxazole-5-carboxylic acid (PubChem CID 107369989) has the molecular formula C11H14N2O4 and a molecular weight of 238.24 g/mol. Its IUPAC name is 3-[(1-ethylcyclobutyl)carbamoyl]-1,2-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name3-[(1-ethylcyclobutyl)carbamoyl]-1,2-oxazole-5-carboxylic acid
PubChem CID107369989
Molecular FormulaC11H14N2O4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC Name3-[(1-ethylcyclobutyl)carbamoyl]-1,2-oxazole-5-carboxylic acid
SMILESCCC1(NC(=O)c2cc(C(=O)O)on2)CCC1
InChIInChI=1S/C11H14N2O4/c1-2-11(4-3-5-11)12-9(14)7-6-8(10(15)16)17-13-7/h6H,2-5H2,1H3,(H,12,14)(H,15,16)
InChIKeyHXGOWMBEWMPXHX-UHFFFAOYSA-N
XLogP1.44
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(hydroxymethyl)cyclobutyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 115877949
2-ethyl-5-[(1-ethylcyclobutyl)carbamoyl]furan-3-carboxylic acid
CID 120822379
3,5-dibromo-N-(1-ethylcyclobutyl)benzamide
CID 107980571
3-[(2-methylcyclopropyl)carbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369563
3-(2,2,3-trimethylbutylcarbamoyl)-1,2-oxazole-5-carboxylic acid
CID 114101640
N-[1-(hydroxymethyl)cyclohexyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 55082649
3-(2-acetamidoethylcarbamoyl)-1,2-oxazole-5-carboxylic acid
CID 107369222
5-bromo-N-(1-ethylcyclobutyl)furan-3-carboxamide
CID 130978943
3-[(4-ethylphenyl)carbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369156
6-(ethylamino)-N-(1-ethylcyclobutyl)pyridazine-3-carboxamide
CID 113489122
3-(1-cyclohexylethylcarbamoyl)-1,2-oxazole-5-carboxylic acid
CID 107369564
N-[1-(hydroxymethyl)cyclobutyl]-3-phenyl-1,2-oxazole-5-carboxamide
CID 115877876

Frequently Asked Questions

What is the IUPAC name of 3-[(1-ethylcyclobutyl)carbamoyl]-1,2-oxazole-5-carboxylic acid?
The IUPAC name of 3-[(1-ethylcyclobutyl)carbamoyl]-1,2-oxazole-5-carboxylic acid (CID 107369989) is 3-[(1-ethylcyclobutyl)carbamoyl]-1,2-oxazole-5-carboxylic acid.
What is the SMILES notation for 3-[(1-ethylcyclobutyl)carbamoyl]-1,2-oxazole-5-carboxylic acid?
The canonical SMILES for 3-[(1-ethylcyclobutyl)carbamoyl]-1,2-oxazole-5-carboxylic acid is CCC1(NC(=O)c2cc(C(=O)O)on2)CCC1.
What is the InChIKey of 3-[(1-ethylcyclobutyl)carbamoyl]-1,2-oxazole-5-carboxylic acid?
The InChIKey is HXGOWMBEWMPXHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4/c1-2-11(4-3-5-11)12-9(14)7-6-8(10(15)16)17-13-7/h6H,2-5H2,1H3,(H,12,14)(H,15,16).
What are the key properties of 3-[(1-ethylcyclobutyl)carbamoyl]-1,2-oxazole-5-carboxylic acid?
3-[(1-ethylcyclobutyl)carbamoyl]-1,2-oxazole-5-carboxylic acid has a molecular weight of 238.24 g/mol, XLogP of 1.44, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-ethylcyclobutyl)carbamoyl]-1,2-oxazole-5-carboxylic acid is sourced from PubChem (CID 107369989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).